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Modulating Interfacial Charge Density of NiP 2 –FeP 2 via Coupling with Metallic Cu for Accelerating Alkaline Hydrogen Evolution
Abstract
Exploring earth-abundant electrocatalysts with Pt-like performance toward alkaline hydrogen evolution reaction (HER) is extremely desirable for the hydrogen economy but remains challenging. Herein, density functional theory (DFT) predictions reveal that the electronic structure and localized charge density at the heterointerface of NiP 2 –FeP 2 can be significantly modulated upon coupling with metallic Cu, resulting in optimized proton adsorption energy and reduced barrier for water dissociation, synergistically boosting alkaline HER. Motivated by theoretical predictions, we developed a facile strategy to fabricate interface-rich NiP 2 –FeP 2 coupled with Cu nanowires (Cu NW ) grown on Cu foam (NiP 2 –FeP 2 /Cu NW /Cu f ). Benefiting from the superior intrinsic activity, conductivity, and copious active sites, the obtained catalyst exhibited exceptional alkaline HER activity requiring a low overpotential of 23.6 mV at −10 mA/cm 2, surpassing the state-of-the-art Pt. Additionally, a full electrolyzer required a cell voltage of 1.42/1.4 V at 10 mA/cm 2 in alkaline water/seawater with promising stability. This work highlights a design principle for advanced HER catalysts and beyond.
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Metadata
- Authors
- Kumar, A., Bui, V. Q., Lee, J., Jadhav, A. R., Hwang, Y., Kim, M. G., Kawazoe, Y., & Lee, H.
- Affiliations
- Institute for Basic Science (KR)
- Pohang University of Science and Technology (KR)
- Tohoku University (JP)
- Corresponding author
- Lee, Hyoyoung
- ORCID
- Venue
- ACS Energy Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2021-01-04
- Volume
- 6
- Issue
- 2
- Pages
- 354-363
- ISSN
- 2380-8195 (ISSN-L)
- OpenAlex
- W3120184380
- Cited by
- 238
- References
- 35
- Citations by year
- 2026: 21 · 2025: 26 · 2024: 53 · 2023: 48 · 2022: 58 · 2021: 32
- FWCI
- 8.96
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- ACS Energy Letters (publishedVersion)
- Funders
- Institute for Basic Science (IBS-R011-D1)
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Physical Sciences › Materials Science › Materials Chemistry › Hydrogen Storage and Materials
- Keywords
- alkaline hydrogen evolution reaction, copper nanowires, heterointerface, interface charge density, water dissociation barrier, earth-abundant electrocatalysts, copper foam, seawater electrolysis
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